1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one

C11H12FNO2 — CID 10465677

IUPAC1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccc(F)cc1
InChIInChI=1S/C11H12FNO2/c12-9-1-3-10(4-2-9)13-6-8(7-14)5-11(13)15/h1-4,8,14H,5-7H2
InChIKeyQWSOFTSQOBDPDU-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.17
Rot. Bonds2

About 1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one

1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 10465677) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID10465677
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccc(F)cc1
InChIInChI=1S/C11H12FNO2/c12-9-1-3-10(4-2-9)13-6-8(7-14)5-11(13)15/h1-4,8,14H,5-7H2
InChIKeyQWSOFTSQOBDPDU-UHFFFAOYSA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 10465677) is 1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is QWSOFTSQOBDPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-9-1-3-10(4-2-9)13-6-8(7-14)5-11(13)15/h1-4,8,14H,5-7H2.
What are the key properties of 1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 209.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 10465677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).